N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide

C27H30N2O6 — CID 46698013

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)CO/N=C/c2ccc(OCc3ccccc3)c(OC)c2)c1
InChIInChI=1S/C27H30N2O6/c1-19(23-15-22(31-2)11-13-24(23)32-3)29-27(30)18-35-28-16-21-10-12-25(26(14-21)33-4)34-17-20-8-6-5-7-9-20/h5-16,19H,17-18H2,1-4H3,(H,29,30)/b28-16+
InChIKeyWQJPBWGBBQJODF-LQKURTRISA-N
MW478.55 g/mol
LogP4.52
Rot. Bonds12

About N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide (PubChem CID 46698013) has the molecular formula C27H30N2O6 and a molecular weight of 478.55 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
PubChem CID46698013
Molecular FormulaC27H30N2O6
Molecular Weight478.55 g/mol
Exact Mass478.21
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)CO/N=C/c2ccc(OCc3ccccc3)c(OC)c2)c1
InChIInChI=1S/C27H30N2O6/c1-19(23-15-22(31-2)11-13-24(23)32-3)29-27(30)18-35-28-16-21-10-12-25(26(14-21)33-4)34-17-20-8-6-5-7-9-20/h5-16,19H,17-18H2,1-4H3,(H,29,30)/b28-16+
InChIKeyWQJPBWGBBQJODF-LQKURTRISA-N
XLogP4.52
TPSA87.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 6893064
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
N-(2,4-dimethylphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 3894304
2-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-1-piperidin-1-ylethanone
CID 7669475
N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 24607111
2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 4682317
methyl 5-[2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 42981467
2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-N-(4-morpholin-4-ylphenyl)acetamide
CID 42971257
2-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxy-N-(ethylcarbamoyl)acetamide
CID 7642554
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3959802
N-[(1S)-1-phenylethyl]-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxyacetamide
CID 7919049
2-(4-chlorophenoxy)-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6023296

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide (CID 46698013) is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide is COc1ccc(OC)c(C(C)NC(=O)CO/N=C/c2ccc(OCc3ccccc3)c(OC)c2)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide?
The InChIKey is WQJPBWGBBQJODF-LQKURTRISA-N. The full InChI is InChI=1S/C27H30N2O6/c1-19(23-15-22(31-2)11-13-24(23)32-3)29-27(30)18-35-28-16-21-10-12-25(26(14-21)33-4)34-17-20-8-6-5-7-9-20/h5-16,19H,17-18H2,1-4H3,(H,29,30)/b28-16+.
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide has a molecular weight of 478.55 g/mol, XLogP of 4.52, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 46698013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).